Basic information
- CAS
5961-33-1- Standard SMILES
CC1(c2ccccc2)CNC1- InChIKey
YOLLUMURPUEOJW-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Overview
3-Methyl-3-phenylazetidine is a member of benzenes, a ring assembly and a member of azetidines.
Names & identifiers
- Preferred name
- 3-Methyl-3-phenylazetidine
- IUPAC
- 3-methyl-3-phenylazetidine
- English name
- 3-Methyl-3-phenyl-azetidine
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
3-Methyl-3-phenylazetidine5961-33-1AZETIDINE, 3-METHYL-3-PHENYL-L 1834BRN 01163633-METHYL-3-PHENYL-AZETIDINESCHEMBL16488091CHEBI:90060DTXSID60208287YOLLUMURPUEOJW-UHFFFAOYSA-N3-METHYL-3-PHENYL AZETIDINEAKOS006280360
Show more names
L-18343-Methyl-3-phenylazetidine, CAS 5961-33-1
SB50870DB-411201CS-0279395EN300-202483Q27162284
Database identifiers
- CAS
5961-33-1- PubChem CID
- 22249
- DTXSID
DTXSID60208287- ChEBI
CHEBI:90060- Nikkaji
- J84.705D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 0.9 Torr)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- pka
- 10.68 · 10.68±0.40(Predicted)
Chemistry & industry
Applications
UsesA chemical constituent of the essential oils of Pteroxygonum giraldii and Polygonum amplexicaule. It showed slight sympathomimetic effects in animals during pharmacology studies.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Additional notes
DefinitionChEBI: 3-Methyl-3-phenylazetidine is a member of azetidines, a ring assembly and a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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